CHEBI:63451 - BGJ-398

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ChEBI Name BGJ-398
ChEBI ID CHEBI:63451
Definition A member of the class of phenylureas that is urea in which a hydrogen attached to one of the nitrogens is replaced by a 2,6-dichloro-3,5-dimethoxyphenyl group, while the hydrogens attached to the other nitrogen are replaced by a methyl group and a 6-{[4-(4-ethylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl group. It is a potent and selective fibroblast growth factor receptor inhibitor.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Bijay
Supplier Information
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Formula C26H31Cl2N7O3
Net Charge 0
Average Mass 560.476
Monoisotopic Mass 559.187
InChI InChI=1S/C26H31Cl2N7O3/c1-5-34-10-12-35(13-11-34)18-8-6-17(7-9-18)31-21-15-22(30-16-29-21)33(2)26(36)32-25-23(27)19(37-3)14-20(38-4)24(25)28/h6-9,14-16H,5,10-13H2,1-4H3,(H,32,36)(H,29,30,31)
InChIKey QADPYRIHXKWUSV-UHFFFAOYSA-N
SMILES C(=O)(N(C1=NC=NC(=C1)NC2=CC=C(C=C2)N3CCN(CC3)CC)C)NC4=C(C(=CC(=C4Cl)OC)OC)Cl
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): fibroblast growth factor receptor antagonist
An antagonist at the fibroblast growth factor receptor.
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
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ChEBI Ontology
Outgoing BGJ-398 (CHEBI:63451) has role antineoplastic agent (CHEBI:35610)
BGJ-398 (CHEBI:63451) has role fibroblast growth factor receptor antagonist (CHEBI:63457)
BGJ-398 (CHEBI:63451) is a N-alkylpiperazine (CHEBI:46845)
BGJ-398 (CHEBI:63451) is a N-arylpiperazine (CHEBI:46848)
BGJ-398 (CHEBI:63451) is a aminopyrimidine (CHEBI:38338)
BGJ-398 (CHEBI:63451) is a dichlorobenzene (CHEBI:23697)
BGJ-398 (CHEBI:63451) is a phenylureas (CHEBI:134043)
IUPAC Name
3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-(6-{[4-(4-ethylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)-1-methylurea
Synonyms Sources
BGJ398 ChEBI
NVP-BGJ398 ChEBI
Manual Xref Database
LSM-1184 LINCS
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Registry Number Type Source
12512466 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21936542 PubMed citation Europe PMC
Last Modified
26 November 2016
Submitter Remark
2011-12-20 10:50:55.0 Bijay See link for further details and structure http://www.activebiochem.com/Product/BGJ-398.html?gclid=CIDquI7T46wCFWgEQAoddH4yoA